5-decyl-5-[1-(4-nitrophenyl)piperazin-1-ium-1-yl]-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-decyl-5-[1-(4-nitrophenyl)piperazin-1-ium-1-yl]-1,3-diazinane-2,4,6-trione Openeye Name: 5-decyl-5-[1-(4-nitrophenyl)piperazin-1-ium-1-yl]hexahydropyrimidine-2,4,6-trione CAS Name: 5-decyl-5-[1-(4-nitrophenyl)-1-piperazin-1-iumyl]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-decyl-5-[1-(4-nitrophenyl)piperazin-1-ium-1-yl]-1,3-diazinane-2,4,6-trione Traditional Name: 5-decyl-5-[1-(4-nitrophenyl)piperazin-1-ium-1-yl]barbituric acid Formula: C24H36N5O5+ MolecularWeight: 474.57314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1(C(=O)NC(=O)NC1=O)[N+]2(CCNCC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCC1(C(=O)NC(=O)NC1=O)[N+]2(CCNCC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H35N5O5/c1-2-3-4-5-6-7-8-9-14-24(21(30)26-23(32)27-22(24)31)29(17-15-25-16-18-29)20-12-10-19(11-13-20)28(33)34/h10-13,25H,2-9,14-18H2,1H3,(H-,26,27,30,31,32)/p+1